Saikosaponin C

Catalog	BBC20736087
CAS	20736-08-7
Structure
Synonyms	(3beta,4alpha,16beta)-13,28-Epoxy-16,23-dihydroxyolean-11-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranoside
Molecular Weight	927.12
Molecular Formula	C48H78O17
Canonical SMILES	CC1C(C(C(C(O1)OC2C(C(C(OC2(C3CCC4(C(C3(C)C)CCC5(C4C=CC67C5(CC(C8(C6CC(CC8)(C)C)CO7)O)C)C)C)OC9C(C(C(C(O9)CO)O)O)O)CO)O)O)O)O)O
InChI	InChI=1S/C48H78O17/c1-22-30(52)33(55)36(58)39(61-22)63-38-35(57)32(54)24(20-50)64-48(38,65-40-37(59)34(56)31(53)23(19-49)62-40)26-9-12-43(6)25(42(26,4)5)10-13-44(7)27(43)11-14-47-28-17-41(2,3)15-16-46(28,21-60-47)29(51)18-45(44,47)8/h11,14,22-40,49-59H,9-10,12-13,15-21H2,1-8H3/t22-,23+,24+,25?,26?,27?,28-,29+,30-,31+,32+,33+,34-,35-,36+,37+,38+,39-,40-,43-,44+,45-,46?,47?,48+/m0/s1
InChI Key	IUZOALRTJNKYRZ-ANYCVEQWSA-N
Melting Point	310-314 °C
Purity	98%
Density	1.40±0.1 g/ml
Appearance	Powder
pKa	12.76±0.70